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Sodium Dicyanamide
CAS: 1934-75-4 | C2HN3Na
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1934-75-4
Molecular Formula:
C2HN3Na
Molecular Weight:
90.041 g/mol
Names and Synonyms:
Sodium Dicyanamide
Common Name
Sodium dicyanoamidate(1-)
Synonym
Cyanamide, cyano-, sodium salt
Synonym
Dicyanamide, sodium salt
Synonym
Sodium dicyanamide
Synonym
Cyanamide, N-cyano-, sodium salt (1:1)
Synonym
Identifiers:
SMILES:
N#CNC#N.[Na]
InChI:
InChI=1S/C2HN3.Na/c3-1-5-2-4;/h5H;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.041 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.006816312 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 59.61 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8426400000000001 | RDKit |
| molecular_mass | 90.04 g/mol | Legacy Database |
| cas-canonical-smile | [Na].N#CNC#N None | Legacy Database |
| cas-inchi | InChI=1S/C2HN3.Na/c3-1-5-2-4;/h5H; None | Legacy Database |
| cas-inchi-key | InChIKey=JHPDENBKCMSVJT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 315 °C None | Legacy Database |
| cas-name | Sodium dicyanamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.1157 | RDKit |